ethane;2-(3,4,5-trimethylpyrazol-1-yl)acetamide

C10H19N3O — CID 164556055

IUPACethane;2-(3,4,5-trimethylpyrazol-1-yl)acetamide
SMILESCC.Cc1nn(CC(N)=O)c(C)c1C
InChIInChI=1S/C8H13N3O.C2H6/c1-5-6(2)10-11(7(5)3)4-8(9)12;1-2/h4H2,1-3H3,(H2,9,12);1-2H3
InChIKeyKROIMNGLERYZCG-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.32
Rot. Bonds2

About ethane;2-(3,4,5-trimethylpyrazol-1-yl)acetamide

ethane;2-(3,4,5-trimethylpyrazol-1-yl)acetamide (PubChem CID 164556055) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is ethane;2-(3,4,5-trimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound Nameethane;2-(3,4,5-trimethylpyrazol-1-yl)acetamide
PubChem CID164556055
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Nameethane;2-(3,4,5-trimethylpyrazol-1-yl)acetamide
SMILESCC.Cc1nn(CC(N)=O)c(C)c1C
InChIInChI=1S/C8H13N3O.C2H6/c1-5-6(2)10-11(7(5)3)4-8(9)12;1-2/h4H2,1-3H3,(H2,9,12);1-2H3
InChIKeyKROIMNGLERYZCG-UHFFFAOYSA-N
XLogP1.32
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4,5-trimethyl-1H-pyrazol-1-yl)acetic acid
CID 651055
2-(trimethyl-1H-pyrazol-4-yl)acetamide
CID 41031989
[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amine
CID 7022224
Sbb010340
CID 6492580
(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methanamine
CID 16394814
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanamide
CID 39891339
N-[2-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]acetamide
CID 97410117
2-(3,4,5-Trimethylpyrazol-1-yl)propan-1-amine
CID 6492579
N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 23005746
(3,5-Dimethyl-1-propyl-1H-pyrazol-4-YL)methylamine
CID 19620896
[(1-Isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]amine
CID 23005637
pentyl[(trimethyl-1H-pyrazol-4-yl)methyl]amine
CID 28612057

Frequently Asked Questions

What is the IUPAC name of ethane;2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The IUPAC name of ethane;2-(3,4,5-trimethylpyrazol-1-yl)acetamide (CID 164556055) is ethane;2-(3,4,5-trimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for ethane;2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The canonical SMILES for ethane;2-(3,4,5-trimethylpyrazol-1-yl)acetamide is CC.Cc1nn(CC(N)=O)c(C)c1C.
What is the InChIKey of ethane;2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The InChIKey is KROIMNGLERYZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O.C2H6/c1-5-6(2)10-11(7(5)3)4-8(9)12;1-2/h4H2,1-3H3,(H2,9,12);1-2H3.
What are the key properties of ethane;2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
ethane;2-(3,4,5-trimethylpyrazol-1-yl)acetamide has a molecular weight of 197.28 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3,4,5-trimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 164556055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).